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CHEBI:215724 - Circumcin A

ChEBI IDCHEBI:215724
ChEBI NameCircumcin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O3
Net Charge0
Average Mass258.317
Monoisotopic Mass258.12559
SMILESOc1ccc(C[C@H](O)[C@@H](O)Cc2ccccc2)cc1
InChIInChI=1S/C16H18O3/c17-14-8-6-13(7-9-14)11-16(19)15(18)10-12-4-2-1-3-5-12/h1-9,15-19H,10-11H2/t15-,16-/m0/s1
InChIKeyPMXBRVFRYDNFJZ-HOTGVXAUSA-N
Species of MetaboliteComponentSourceComments
Gordonia (ncbitaxon:2053) - PubMed (23880542)
ChEBI Ontology
Outgoing Relation(s)
Circumcin A (CHEBI:215724) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(2S,3S)-1-(4-hydroxyphenyl)-4-phenylbutane-2,3-diol
Manual XrefsDatabases
29784781ChemSpider